CAS 349-65-5

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Also known as: 349-65-5, 3-amino-4-methoxybenzotrifluoride, 2-amino-4-trifluoromethylanisole, Mfcd00042486, Benzenamine, 2-methoxy-5-(trifluoromethyl)-, 2-methoxy-5-trifluoromethylaniline

Molecular Formula

C₈H₈F₃NO

Molecular Weight

191.15 g/mol

InChI Key

RKUSRLUGUVDNKP-UHFFFAOYSA-N

1 2D Structure

CAS 349-65-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methoxy-5-(trifluoromethyl)aniline

2.1.2 InChI

InChI=1S/C8H8F3NO/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3

2.1.3 InChI Key

RKUSRLUGUVDNKP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)C(F)(F)F)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 349-65-5

2. 3-amino-4-methoxybenzotrifluoride

3. 2-amino-4-trifluoromethylanisole

4. Mfcd00042486

5. Benzenamine, 2-methoxy-5-(trifluoromethyl)-

6. 2-methoxy-5-trifluoromethylaniline

7. 2-methoxy-5-trifluoromethyl-phenylamine

8. 4-trifluromethyl-o-anisidine

9. Schembl330883

10. F3146-0169

11. Dtxsid10344947

12. Chebi:194915

13. Pvqwwvsjkithly-uhfffaoysa-n

14. Pwqphulfbidccz-uhfffaoysa-n

15. Hms1659d05

16. 2-amino-4-(trifluoromethyl)anisole

17. 2-methoxy-5-trifluoromethyl-aniline

18. 3-amino-4-methoxy Benzotrifluoride

19. 2-methoxy-5-(triluoromethyl)aniline

20. 5-(trifluoromethyl)-2-methoxyaniline

21. 2-methoxy-5-(trifluoromethyl) Aniline

22. 2-methoxy-5-trifluoromethylphenylamine

23. Akos000102083

24. 5-(trifluoromethyl) -2-methoxyaniline

25. Cs-w002211

26. Ps-8358

27. 2-methoxy-5-(trifluoromethyl)benzenamine

28. Sy024813

29. 2-methoxy-5-(trifluoromethyl)phenylamine #

30. 2-methoxy-5-(trifluoromethyl)aniline, 96%

31. Am20040248

32. Ft-0614984

33. M2212

34. Vu0510740-1

35. A19845

36. En300-257738

37. J-509822

38. 6-methoxy-.alpha.,.alpha.,.alpha.-trifluoro-m-toluidine

39. Z111782480

40. 3-amino-4-methoxybenzotrifluoride; 6-methoxy-alpha,alpha,alpha-trifluoro-m-toluidine

41. Inchi=1/c8h8f3no/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4h,12h2,1h

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₈F₃NO
Molecular Weight	191.15 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	35.2
Heavy Atom Count	13
Formal Charge	0
Complexity	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1